3-butan-2-yl-5-chloranyl-1-phenyl-1,2,4-triazole

Systemtic Name: 3-butan-2-yl-5-chloranyl-1-phenyl-1,2,4-triazole Openeye Name: 5-chloro-1-phenyl-3-sec-butyl-1,2,4-triazole CAS Name: 3-butan-2-yl-5-chloro-1-phenyl-1,2,4-triazole IUPAC Name: 3-butan-2-yl-5-chloro-1-phenyl-1,2,4-triazole Traditional Name: 5-chloro-1-phenyl-3-sec-butyl-1,2,4-triazole Formula: C12H14ClN3 MolecularWeight: 235.71266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=N1)Cl)C2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=NN(C(=N1)Cl)C2=CC=CC=C2

InChI

InChI=1S/C12H14ClN3/c1-3-9(2)11-14-12(13)16(15-11)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3